1005 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 15 8 8 8 8 8 8 6 6 6 1 1 1 1 1 1 1 1 1 2 3 4 6 6 7 8 8 10 10 2 3 4 5 8 13 14 9 15 9 9 10 11 12 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 3.403 4.269 2.5369 2.903 3.903 6.8671 6.001 5.135 6.001 5.135 4.5981 5.672 2 3.213 7.404 -0.25 0.25 -0.75 0.616 -1.116 -0.25 1.25 -0.25 0.25 -1.25 -1.56 -1.56 -0.44 1.153 0.06 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 201 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180403802000000000000000000000000000000000000000000000000000000000000001A00000820000804808000000800000310884000D208820000000000000000004000400104000000000000000000000110800000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phosphonooxyprop-2-enoic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phosphonooxy-2-propenoic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phosphonooxyprop-2-enoic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phosphonooxyprop-2-enoic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phosphonooxyprop-2-enoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-phosphonooxyacrylic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DTBNBXWJWCWCIK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 167.98237487 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3H5O6P Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 168.04 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C=C(C(=O)O)OP(=O)(O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C=C(C(=O)O)OP(=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 104 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 167.98237487 10 0 0 0 0 0 0 0 1 -1